Computational analysis of native and modified oligofructosides

This paper presents a quantum chemical calculation of native (2–7 fructoside residues) and chemically modified (2–4 fructoside residues) levan molecule models. A levan modification was carried out by oxidation and the following reduction or hyrdazonation of the fructoside rings. The conformational particularity and reaction ability was studied for the native and for the modified levan molecules.     

Optical current transducer with bulk type Bi12SiO20 faraday sensor for power systems

Two types of optical current transducers (OCTs) have a bulk Faraday sensor inserted into the gap of an iron core and a porcelain insulator with optical fiber. The sensor consists of Bi₁₂SiO₂₀ (BSO) single crystal, a polarizer, and an analyzer. The OCTs satisfied the target performance requirement for fault location and metering and demonstrated maintained performance at some power utilities in Japan and the US. We have developed a fault location system that immediately detects the fault current with the OCTs, there by locating the fault section. The OCT can easily replace the existing support insulators for the disconnecting switch without any modifications to structure height or bus-bar. For metering requiring 0.3% class accuracy, use of a BSO with right optical rotatory power combined with BSO with left optical rotatory power results in a Faraday sensor with improved temperature characteristics. The OCT demonstrated 0.3% class accuracy for metering described in the current transformer Specifications of IEEE C57–13, 1993.     

The hydrogen molecule in an arbitrarily oriented magnetic field

Summary The modifications induced by a magnetic field of arbitrary direction and intermediate strength (i.e not larger than 2.35·10⁵ tesla, the ?atomic tesla?) on the lowest singlet and triplet energy states of the hydrogen molecule are studied. Using a linear combination of products of field-modified atomic orbitals, it is found that increasing the field strength the depth of the singlet energy well increases and the equilibrium internuclear distance decreases, yielding more rigid and localized nuclear vibrations. For sufficiently strong fields perpendicular to the internuclear axis, the triplet state exhibits a bonding behaviour. An explanation of the above results is given in terms of the field-modified electronic-charge distributions in the internuclear region. Based on the thesis submitted by S. Basile to the University of Palermo for graduation in Physics.     

4-Hydroxy-2-quinolones. 93. Synthesis and biological properties of 2-hydroxy-4-imino-1,4-dihydroquinoline-3-carboxylic acid N-R-amides

Various methods of synthesizing amides of 2-hydroxy-4-imino-1,4-dihydroquinoline-3-carboxylic acids have been studied. Results of investigations on the antitubercular and antiinflammatory activity of the obtained compounds are discussed. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 542–555, April, 2006.     

Synthesis of new 7-aminosterol squalamine analogues with high antimicrobial activities through a stereoselective titanium reductive amination reaction

A series of 7-amino- and polyaminosterol analogues of squalamine and trodusquemine were synthesized involving a new stereoselective titanium reductive amination reaction in high chemical yields of up to 95% in numerous cases. These derivatives were evaluated for their in vitro antimicrobial properties against human pathogens. All the compounds present excellent activities against Gram-positive bacteria exhibiting similar results against Staphylococcus aureus and Streptococcus faecalis with minimum inhibitory concentrations (MICs) varying from 2.5 to 10 μg/mL. Numerous derivatives possess also MICs against Gram-negative Escherichia coli bacteria (MICs varying from 2.5 to 10 μg/mL) suggesting that nature of the amino group attached to the sterol moiety plays an important role on the activities of such products.     

The decisive role of calorimetric measurements in equilibrium phase diagram calculations

In this paper, examples are given of how calorimetric values can give greater certainty to phase equilibria calculated from thermodynamic data. Errors that may arise when phase diagram evaluations are carried out largely from the basis of Gibbs energy information only are illustrated by reference to recent evaluations of the Ti?Si system and the resulting calculated oxidation behaviour of titanium silicides. The importance of calorimetric values for calculation of metastable phase equilibria is demonstrated by results of work on the AlN?TiN hard-metal coating system. Finally, suggestions are made with regard to areas of work where calorimetric data are urgently needed.     

Modeling of drug molecule orientation within a receptor cavity in the BiS algorithm framework

The BiS algorithm is suggested for modeling the drug molecule orientation within a receptor cavity. It is based on the assumption of complementarity of the field created by biologically active compounds and the field of the responsive receptor. The comparison of predicted orientations of various biologically active compounds on the relevant receptors with the data of X-ray structural studies (Protein Data Bank) reveals that the results obtained with this approach surpasses those reported in the literature. The suggested technique made it possible to elucidate the details of the action mechanism of DNA antimetabolites, dihydrofolate reductase inhibitors. The dependence of the activity on the structural parameters of “ligand-receptor” complexes is determined.     

Synthesis and herbicidal activity of O,O-dialkyl phenoxyacetoxyalkylphosphonates containing fluorine

A series of substituted phenoxyacetoxyalkylphosphonates bearing fluorine were designed and synthesized. All the new compounds were identified by elemental analysis, IR, ¹H NMR and MS and were tested for herbicidal activity in greenhouse at a rate of 1.5 kg/ha. The results of preliminary bioassay showed that fluorine moiety introduced to the core structure could help to improve the herbicidal activity, and compounds with a 3-trifluoromethyl in benzene ring exhibited higher inhibitory activity.     

Synthesis and studies of antibacterial activity of pongaglabol

Pongaglabol [8-hydroxy-5-phenyl-furo[2,3-h]benzo(b)pyran-7-one] was synthesized and tested for antibacterial effects againstShigella dysenteriae, Salmonella typhi, Streptococcus β-haemolyticus andStaphylococcus aureus. The synthesized compounds were characterized using UV, IR and¹H NMR spectral data